Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.73 |
| ▸ | TSHR | P16473 | 2/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.36 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6065994 | 0.97 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2C19TSHRCYP1A2 | |
| SCHEMBL30885064 | 0.90 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19TSHRCYP1A2 | |
| Potassium SCHEMBL30885068 | 0.88 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19TSHRCYP1A2 | |
| SCHEMBL2786307 | 0.87 | CYP2C9 (0.64) | CYP3A4CYP2C9CYP2C19TSHRCYP1A2 | |
| SCHEMBL29824185 | 0.86 | CYP3A4 (0.71) | CYP3A4CYP2C9CYP2C19TSHRCYP1A2 | |
| SCHEMBL11087878 | 0.86 | CYP3A4 (0.71) | CYP3A4CYP2C9CYP2C19TSHRCYP1A2 | |
| SCHEMBL28039550 | 0.84 | CYP3A4 (0.69) | CYP3A4CYP2C9CYP2C19TSHRCYP1A2 | |
| SCHEMBL817163 | 0.84 | CYP2C19 (0.58) | CYP3A4CYP2C9CYP2C19TSHRCYP1A2 | |
| SCHEMBL2789868 | 0.83 | CYP2C19 (0.57) | CYP3A4CYP2C9CYP2C19TSHRCYP1A2 | |
| SCHEMBL5988306 | 0.82 | CYP2C19 (0.66) | CYP3A4CYP2C9CYP2C19TSHRCYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109796476-A | Magnesiumaryloxy compounds, preparation method and ring-opening polymerization catalyst and application | 吉林农业大学 | 2019-05-24 | — | — | CN | disclosed |